6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile

C14H18N4O — CID 112685210

IUPAC6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCC(=O)N2CCCCC2)nc1
InChIInChI=1S/C14H18N4O/c15-10-12-4-5-13(17-11-12)16-7-6-14(19)18-8-2-1-3-9-18/h4-5,11H,1-3,6-9H2,(H,16,17)
InChIKeyNBXCXIURYBIWBM-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.77
Rot. Bonds4

About 6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile

6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile (PubChem CID 112685210) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile
PubChem CID112685210
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCC(=O)N2CCCCC2)nc1
InChIInChI=1S/C14H18N4O/c15-10-12-4-5-13(17-11-12)16-7-6-14(19)18-8-2-1-3-9-18/h4-5,11H,1-3,6-9H2,(H,16,17)
InChIKeyNBXCXIURYBIWBM-UHFFFAOYSA-N
XLogP1.77
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 115576194
3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one
CID 136519955
N-(5-cyano-2-pyridinyl)azocane-1-carboxamide
CID 126839121
6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile
CID 112692141
6-[2-[[2-(2-cyanoazetidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
CID 66895451
3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411675
6-[2-[[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
CID 91182310
3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 55365489
6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 35919863
6-(2-aminoethylamino)pyridine-3-carbonitrile
CID 11369405
1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one
CID 113243711
6-[(5-cyano-2-pyridinyl)amino]-4,4-dimethylhexanoic acid
CID 65284946

Frequently Asked Questions

What is the IUPAC name of 6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile (CID 112685210) is 6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile is N#Cc1ccc(NCCC(=O)N2CCCCC2)nc1.
What is the InChIKey of 6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile?
The InChIKey is NBXCXIURYBIWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-10-12-4-5-13(17-11-12)16-7-6-14(19)18-8-2-1-3-9-18/h4-5,11H,1-3,6-9H2,(H,16,17).
What are the key properties of 6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile?
6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile has a molecular weight of 258.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 112685210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).